6H-pyrimido[5,4-c]azepin-2-amine

C8H8N4 — CID 150956746

IUPAC6H-pyrimido[5,4-c]azepin-2-amine
SMILESNc1ncc2c(n1)=CC=CNC=2
InChIInChI=1S/C8H8N4/c9-8-11-5-6-4-10-3-1-2-7(6)12-8/h1-5,10H,(H2,9,12)
InChIKeyXMQIWAQYEYMGFE-UHFFFAOYSA-N
MW160.18 g/mol
LogP-1.31
Rot. Bonds

About 6H-pyrimido[5,4-c]azepin-2-amine

6H-pyrimido[5,4-c]azepin-2-amine (PubChem CID 150956746) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 6H-pyrimido[5,4-c]azepin-2-amine.

Molecular Properties

Compound Name6H-pyrimido[5,4-c]azepin-2-amine
PubChem CID150956746
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name6H-pyrimido[5,4-c]azepin-2-amine
SMILESNc1ncc2c(n1)=CC=CNC=2
InChIInChI=1S/C8H8N4/c9-8-11-5-6-4-10-3-1-2-7(6)12-8/h1-5,10H,(H2,9,12)
InChIKeyXMQIWAQYEYMGFE-UHFFFAOYSA-N
XLogP-1.31
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8H-pyrimido[4,5-c]azepine
CID 45080292
Pyrido[3,2-c]azepine
CID 129706333
6H-pyrimido[5,4-c]azepine
CID 45080176
1H-Cyclohepta[d]pyrimidine
CID 45080488
6H-pyrimido[4,5-d][2]benzazepine
CID 70499014
6H-pyrimido[5,4-d][2]benzazepine
CID 87425228
3,15-Diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene
CID 87852946
(Z)-[(2E)-5-methyl-2-prop-2-enylidene-3-pyridinylidene]methanamine
CID 88563059
(E)-[(3Z)-5-methyl-3-prop-2-enylidene-2-pyridinylidene]methanamine
CID 89263427
(E)-[(5E)-5-prop-2-enylidenepyrimidin-4-ylidene]methanamine
CID 89326494
2H-pyrido[2,3-e][1,4]diazepin-2-amine
CID 91539100
4-[(Z)-1-iminopent-2-en-2-yl]-1,4-dihydropyrimidin-2-amine
CID 118228797

Frequently Asked Questions

What is the IUPAC name of 6H-pyrimido[5,4-c]azepin-2-amine?
The IUPAC name of 6H-pyrimido[5,4-c]azepin-2-amine (CID 150956746) is 6H-pyrimido[5,4-c]azepin-2-amine.
What is the SMILES notation for 6H-pyrimido[5,4-c]azepin-2-amine?
The canonical SMILES for 6H-pyrimido[5,4-c]azepin-2-amine is Nc1ncc2c(n1)=CC=CNC=2.
What is the InChIKey of 6H-pyrimido[5,4-c]azepin-2-amine?
The InChIKey is XMQIWAQYEYMGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c9-8-11-5-6-4-10-3-1-2-7(6)12-8/h1-5,10H,(H2,9,12).
What are the key properties of 6H-pyrimido[5,4-c]azepin-2-amine?
6H-pyrimido[5,4-c]azepin-2-amine has a molecular weight of 160.18 g/mol, XLogP of -1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-pyrimido[5,4-c]azepin-2-amine is sourced from PubChem (CID 150956746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).